(1S)-N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxidanylidene-cyclohexane-1-carbothioamide

Systemtic Name: (1S)-N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxidanylidene-cyclohexane-1-carbothioamide Openeye Name: (1S)-N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxo-cyclohexanecarbothioamide CAS Name: (1S)-N-(4-butylphenyl)-4,4-dimethyl-2-[2-(4-morpholin-4-iumyl)ethylimino]-6-oxo-1-cyclohexanecarbothioamide IUPAC Name: (1S)-N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxocyclohexane-1-carbothioamide Traditional Name: (1S)-N-(4-butylphenyl)-2-keto-4,4-dimethyl-6-(2-morpholin-4-ium-4-ylethylimino)cyclohexanecarbothioamide Formula: C25H38N3O2S+ MolecularWeight: 444.65312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2C(=NCC[NH+]3CCOCC3)CC(CC2=O)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)[C@H]2C(=NCC[NH+]3CCOCC3)CC(CC2=O)(C)C

InChI

InChI=1S/C25H37N3O2S/c1-4-5-6-19-7-9-20(10-8-19)27-24(31)23-21(17-25(2,3)18-22(23)29)26-11-12-28-13-15-30-16-14-28/h7-10,23H,4-6,11-18H2,1-3H3,(H,27,31)/p+1/t23-/m0/s1